3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide

C17H17Cl2N3O — CID 5043775

IUPAC3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H17Cl2N3O/c18-15-7-6-14(10-16(15)19)20-17(23)22-9-8-21(12-22)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,20,23)
InChIKeyZFEIUWPZEMIBOA-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.30
Rot. Bonds3

About 3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide

3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide (PubChem CID 5043775) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide
PubChem CID5043775
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H17Cl2N3O/c18-15-7-6-14(10-16(15)19)20-17(23)22-9-8-21(12-22)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,20,23)
InChIKeyZFEIUWPZEMIBOA-UHFFFAOYSA-N
XLogP4.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide?
The IUPAC name of 3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide (CID 5043775) is 3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide?
The InChIKey is ZFEIUWPZEMIBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-15-7-6-14(10-16(15)19)20-17(23)22-9-8-21(12-22)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,20,23).
What are the key properties of 3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide?
3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide has a molecular weight of 350.25 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(3,4-dichlorophenyl)imidazolidine-1-carboxamide is sourced from PubChem (CID 5043775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).